[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate

C21H17NO5 — CID 7132382

IUPAC[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@H]3CCOC3=O)c2c1
InChIInChI=1S/C21H17NO5/c1-25-14-7-8-17-15(11-14)16(20(23)27-19-9-10-26-21(19)24)12-18(22-17)13-5-3-2-4-6-13/h2-8,11-12,19H,9-10H2,1H3/t19-/m0/s1
InChIKeyNEKNKCIYWKRTTP-IBGZPJMESA-N
MW363.37 g/mol
LogP3.38
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate

[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate (PubChem CID 7132382) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
PubChem CID7132382
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@H]3CCOC3=O)c2c1
InChIInChI=1S/C21H17NO5/c1-25-14-7-8-17-15(11-14)16(20(23)27-19-9-10-26-21(19)24)12-18(22-17)13-5-3-2-4-6-13/h2-8,11-12,19H,9-10H2,1H3/t19-/m0/s1
InChIKeyNEKNKCIYWKRTTP-IBGZPJMESA-N
XLogP3.38
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 7395314
(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 3877730
[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2082794
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132372
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 25163697
[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
CID 8595816
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
furan-2-yl-[4-(6-methoxy-2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 154772613
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132339
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate (CID 7132382) is [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate is COc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@H]3CCOC3=O)c2c1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The InChIKey is NEKNKCIYWKRTTP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17NO5/c1-25-14-7-8-17-15(11-14)16(20(23)27-19-9-10-26-21(19)24)12-18(22-17)13-5-3-2-4-6-13/h2-8,11-12,19H,9-10H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7132382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).